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Patent code US9206232

Compile Data Set for Download or QSAR

Found 203 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM196124
PNG
(US9206232, 125)
Show SMILES CC(C)N1CCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C1(C)CCOCC1 |r|
Show InChI InChI=1S/C46H73N7O8S/c1-7-32-27-46(32,41(58)50-62(59,60)51-22-11-12-23-51)49-38(55)34-28-45(42(4,5)44(45)18-14-19-44)29-53(34)40(57)36(43(6)20-25-61-26-21-43)48-39(56)35(31-15-9-8-10-16-31)47-37(54)33-17-13-24-52(33)30(2)3/h7,30-36H,1,8-29H2,2-6H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t32-,33+,34+,35+,36-,45-,46-/m1/s1
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US Patent
n/an/a<0.300n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110396
PNG
(US8613914, 170 | US9206232, 170)
Show SMILES CCN(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C44H73N7O7S/c1-11-30-25-44(30,39(56)48-59(57,58)49(10)12-2)47-36(53)32-26-43(41(8,9)42(43)22-18-23-42)27-51(32)38(55)34(40(5,6)7)46-37(54)33(29-19-14-13-15-20-29)45-35(52)31-21-16-17-24-50(31)28(3)4/h11,28-34H,1,12-27H2,2-10H3,(H,45,52)(H,46,54)(H,47,53)(H,48,56)/t30-,31+,32+,33?,34-,43-,44-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110393
PNG
(US8613914, 167 | US9206232, 167)
Show SMILES CCN(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C40H60N8O7S/c1-9-26-21-40(26,35(53)46-56(54,55)47(8)10-2)45-32(50)28-22-39(37(6,7)38(39)17-14-18-38)24-48(28)34(52)30(36(3,4)5)44-33(51)29(25-15-12-11-13-16-25)43-31(49)27-23-41-19-20-42-27/h9,19-20,23,25-26,28-30H,1,10-18,21-22,24H2,2-8H3,(H,43,49)(H,44,51)(H,45,50)(H,46,53)/t26-,28+,29?,30-,39-,40-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110400
PNG
(US8613914, 174 | US9206232, 174)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C45H75N7O7S/c1-11-31-26-45(31,40(57)49-60(58,59)50(12-2)13-3)48-37(54)33-27-44(42(9,10)43(44)23-19-24-43)28-52(33)39(56)35(41(6,7)8)47-38(55)34(30-20-15-14-16-21-30)46-36(53)32-22-17-18-25-51(32)29(4)5/h11,29-35H,1,12-28H2,2-10H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t31-,32+,33+,34?,35-,44-,45-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110388
PNG
(US8613914, 162 | US9206232, 162)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N(C)C)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C43H71N7O7S/c1-11-29-24-43(29,38(55)47-58(56,57)48(9)10)46-35(52)31-25-42(40(7,8)41(42)21-17-22-41)26-50(31)37(54)33(39(4,5)6)45-36(53)32(28-18-13-12-14-19-28)44-34(51)30-20-15-16-23-49(30)27(2)3/h11,27-33H,1,12-26H2,2-10H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM196120
PNG
(US9206232, 77)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1CCCCN1CC)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C44H73N7O7S/c1-10-30-26-44(30,39(56)48-59(57,58)50(12-3)13-4)47-36(53)32-27-43(41(8,9)42(43)23-19-24-42)28-51(32)38(55)34(40(5,6)7)46-37(54)33(29-20-15-14-16-21-29)45-35(52)31-22-17-18-25-49(31)11-2/h10,29-34H,1,11-28H2,2-9H3,(H,45,52)(H,46,54)(H,47,53)(H,48,56)/t30-,31+,32+,33?,34-,43-,44-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110388
PNG
(US8613914, 162 | US9206232, 162)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N(C)C)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C43H71N7O7S/c1-11-29-24-43(29,38(55)47-58(56,57)48(9)10)46-35(52)31-25-42(40(7,8)41(42)21-17-22-41)26-50(31)37(54)33(39(4,5)6)45-36(53)32(28-18-13-12-14-19-28)44-34(51)30-20-15-16-23-49(30)27(2)3/h11,27-33H,1,12-26H2,2-10H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110280
PNG
(US8613914, 48 | US9206232, 48)
Show SMILES CN1CCCC[C@@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C43H69N7O7S/c1-8-29-25-43(29,38(55)47-58(56,57)49-23-14-15-24-49)46-35(52)31-26-42(40(5,6)41(42)20-16-21-41)27-50(31)37(54)33(39(2,3)4)45-36(53)32(28-17-10-9-11-18-28)44-34(51)30-19-12-13-22-48(30)7/h8,28-33H,1,9-27H2,2-7H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30-,31+,32+,33-,42-,43-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110273
PNG
(US8613914, 41 | US9206232, 41)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCOCC1)C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C46H73N7O8S/c1-6-33-27-46(33,42(58)50-62(59,60)51-22-12-13-23-51)49-39(55)35-28-45(43(4,5)44(45)20-14-21-44)29-53(35)41(57)37(32-18-25-61-26-19-32)48-40(56)36(31-15-8-7-9-16-31)47-38(54)34-17-10-11-24-52(34)30(2)3/h6,30-37H,1,7-29H2,2-5H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t33-,34+,35+,36+,37+,45-,46-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110277
PNG
(US8613914, 45 | US9206232, 45)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CC[C@@H](F)C1)C(C)(C)[C@]21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C45H72FN7O7S/c1-9-30-24-45(30,40(58)50-61(59,60)51-23-19-31(46)26-51)49-37(55)33-25-44(42(7,8)43(44)20-15-21-43)27-53(33)39(57)35(41(4,5)6)48-38(56)34(29-16-11-10-12-17-29)47-36(54)32-18-13-14-22-52(32)28(2)3/h9,28-35H,1,10-27H2,2-8H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t30-,31-,32+,33+,34+,35-,44-,45-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110294
PNG
(US8613914, 62 | US9206232, 62)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C44H73N7O7S/c1-11-30-25-44(30,39(56)48-59(57,58)49(12-2)13-3)47-36(53)32-26-43(41(9,10)42(43)22-18-23-42)27-51(32)38(55)34(40(6,7)8)46-37(54)33(29-19-15-14-16-20-29)45-35(52)31-21-17-24-50(31)28(4)5/h11,28-34H,1,12-27H2,2-10H3,(H,45,52)(H,46,54)(H,47,53)(H,48,56)/t30-,31+,32+,33+,34-,43-,44-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110383
PNG
(US8613914, 157 | US9206232, 157)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1CC)C1(C)CCOCC1)C1(C)CCCCC1)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C46H75N7O8S/c1-9-31-28-46(31,40(58)50-62(59,60)52(11-3)12-4)49-37(55)33-29-45(41(5,6)44(45)21-17-22-44)30-53(33)39(57)35(42(7)19-14-13-15-20-42)48-38(56)34(43(8)23-26-61-27-24-43)47-36(54)32-18-16-25-51(32)10-2/h9,31-35H,1,10-30H2,2-8H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t31-,32+,33+,34-,35-,45-,46-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110264
PNG
(US8613914, 32 | US9206232, 32)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C1CCCCC1)C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C47H75N7O7S/c1-7-32-28-47(32,42(59)51-62(60,61)52-25-15-16-26-52)50-39(56)35-29-46(44(5,6)45(46)23-17-24-45)30-54(35)41(58)37(43(2,3)4)49-40(57)36(31-18-9-8-10-19-31)48-38(55)34-22-13-14-27-53(34)33-20-11-12-21-33/h7,31-37H,1,8-30H2,2-6H3,(H,48,55)(H,49,57)(H,50,56)(H,51,59)/t32-,34+,35+,36+,37-,46-,47-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110397
PNG
(US8613914, 171 | US9206232, 171)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)NC(C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N(C)CCCl)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C44H72ClN7O7S/c1-10-30-25-44(30,39(57)49-60(58,59)50(9)24-22-45)48-36(54)32-26-43(41(7,8)42(43)20-16-21-42)27-52(32)38(56)34(40(4,5)6)47-37(55)33(29-17-12-11-13-18-29)46-35(53)31-19-14-15-23-51(31)28(2)3/h10,28-34H,1,11-27H2,2-9H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t30-,31+,32+,33?,34-,43-,44-/m1/s1
PDB
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UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110378
PNG
(US8613914, 152 | US9206232, 152)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1(C)CCCCC1)C1(C)CCOCC1)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C48H79N7O8S/c1-10-33-29-48(33,42(60)52-64(61,62)53(11-2)12-3)51-39(57)35-30-47(43(6,7)46(47)22-18-23-46)31-55(35)41(59)37(45(9)24-27-63-28-25-45)50-40(58)36(44(8)20-15-13-16-21-44)49-38(56)34-19-14-17-26-54(34)32(4)5/h10,32-37H,1,11-31H2,2-9H3,(H,49,56)(H,50,58)(H,51,57)(H,52,60)/t33-,34+,35+,36-,37-,47-,48-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110295
PNG
(US8613914, 63 | US9206232, 63)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1CC)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C43H71N7O7S/c1-10-29-25-43(29,38(55)47-58(56,57)49(12-3)13-4)46-35(52)31-26-42(40(8,9)41(42)22-18-23-41)27-50(31)37(54)33(39(5,6)7)45-36(53)32(28-19-15-14-16-20-28)44-34(51)30-21-17-24-48(30)11-2/h10,28-33H,1,11-27H2,2-9H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110382
PNG
(US8613914, 156 | US9206232, 156)
Show SMILES CCN(CCF)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)[C@]21CCC1 |r|
Show InChI InChI=1S/C45H74FN7O7S/c1-10-31-26-45(31,40(58)50-61(59,60)51(11-2)25-23-46)49-37(55)33-27-44(42(8,9)43(44)21-17-22-43)28-53(33)39(57)35(41(5,6)7)48-38(56)34(30-18-13-12-14-19-30)47-36(54)32-20-15-16-24-52(32)29(3)4/h10,29-35H,1,11-28H2,2-9H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t31-,32+,33+,34+,35-,44-,45-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110287
PNG
(US8613914, 55 | US9206232, 55)
Show SMILES CON(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C43H71N7O8S/c1-11-29-24-43(29,38(55)47-59(56,57)48(9)58-10)46-35(52)31-25-42(40(7,8)41(42)21-17-22-41)26-50(31)37(54)33(39(4,5)6)45-36(53)32(28-18-13-12-14-19-28)44-34(51)30-20-15-16-23-49(30)27(2)3/h11,27-33H,1,12-26H2,2-10H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110354
PNG
(US8613914, 122 | US9206232, 122)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C42H71N7O7S/c1-13-28-23-42(28,37(54)46-57(55,56)47(14-2)15-3)45-34(51)30-24-41(39(11,12)40(41)20-18-21-40)25-49(30)36(53)32(38(8,9)10)44-35(52)31(26(4)5)43-33(50)29-19-16-17-22-48(29)27(6)7/h13,26-32H,1,14-25H2,2-12H3,(H,43,50)(H,44,52)(H,45,51)(H,46,54)/t28-,29+,30+,31+,32-,41-,42-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110344
PNG
(US8613914, 112 | US9206232, 112)
Show SMILES CCCN(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C45H75N7O7S/c1-11-24-50(10)60(58,59)49-40(57)45(26-31(45)12-2)48-37(54)33-27-44(42(8,9)43(44)22-18-23-43)28-52(33)39(56)35(41(5,6)7)47-38(55)34(30-19-14-13-15-20-30)46-36(53)32-21-16-17-25-51(32)29(3)4/h12,29-35H,2,11,13-28H2,1,3-10H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t31-,32+,33+,34+,35-,44-,45-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110360
PNG
(US8613914, 128 | US9206232, 128)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C1(C)CCOCC1)C(C)(C)C |r|
Show InChI InChI=1S/C45H73N7O8S/c1-10-30-26-45(30,39(57)49-61(58,59)50-21-13-14-22-50)48-36(54)32-27-44(41(7,8)43(44)17-15-18-43)28-52(32)38(56)34(42(9)19-24-60-25-20-42)47-37(55)33(40(4,5)6)46-35(53)31-16-11-12-23-51(31)29(2)3/h10,29-34H,1,11-28H2,2-9H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t30-,31+,32+,33-,34-,44-,45-/m1/s1
PDB
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n/an/a 1.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110375
PNG
(US8613914, 147 | US9206232, 147)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C1(C)CCOCC1)C1(C)CCCCC1 |r|
Show InChI InChI=1S/C48H77N7O8S/c1-8-33-29-48(33,42(60)52-64(61,62)53-24-14-15-25-53)51-39(57)35-30-47(43(4,5)46(47)20-16-21-46)31-55(35)41(59)37(45(7)22-27-63-28-23-45)50-40(58)36(44(6)18-11-9-12-19-44)49-38(56)34-17-10-13-26-54(34)32(2)3/h8,32-37H,1,9-31H2,2-7H3,(H,49,56)(H,50,58)(H,51,57)(H,52,60)/t33-,34+,35+,36-,37-,47-,48-/m1/s1
PDB
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n/an/a 1.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM196129
PNG
(US9206232, 149)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C45H75N7O7S/c1-11-31-26-45(31,40(57)49-60(58,59)50(12-2)13-3)48-37(54)33-27-44(42(9,10)43(44)23-19-24-43)28-52(33)39(56)35(41(6,7)8)47-38(55)34(30-20-15-14-16-21-30)46-36(53)32-22-17-18-25-51(32)29(4)5/h11,29-35H,1,12-28H2,2-10H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t31-,32+,33+,34+,35-,44-,45-/m1/s1
PDB
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n/an/a 1.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110356
PNG
(US8613914, 124 | US9206232, 124)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C1(C)CCOCC1 |r|
Show InChI InChI=1S/C47H75N7O8S/c1-7-33-28-47(33,42(59)51-63(60,61)52-23-13-14-24-52)50-39(56)35-29-46(43(4,5)45(46)19-15-20-45)30-54(35)41(58)37(44(6)21-26-62-27-22-44)49-40(57)36(32-16-9-8-10-17-32)48-38(55)34-18-11-12-25-53(34)31(2)3/h7,31-37H,1,8-30H2,2-6H3,(H,48,55)(H,49,57)(H,50,56)(H,51,59)/t33-,34+,35+,36+,37-,46-,47-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110395
PNG
(US8613914, 169 | US9206232, 169)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)NC(C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)NC(C)(C)C)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C45H75N7O7S/c1-12-30-25-45(30,39(57)49-60(58,59)50-41(7,8)9)48-36(54)32-26-44(42(10,11)43(44)22-18-23-43)27-52(32)38(56)34(40(4,5)6)47-37(55)33(29-19-14-13-15-20-29)46-35(53)31-21-16-17-24-51(31)28(2)3/h12,28-34,50H,1,13-27H2,2-11H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t30-,31+,32+,33?,34-,44-,45-/m1/s1
PDB
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n/an/a 1.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110326
PNG
(US8613914, 94 | US9206232, 94)
Show SMILES CCN(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1CC)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C43H71N7O7S/c1-10-29-25-43(29,38(55)47-58(56,57)48(9)11-2)46-35(52)31-26-42(40(7,8)41(42)22-18-23-41)27-50(31)37(54)33(39(4,5)6)45-36(53)32(28-19-14-13-15-20-28)44-34(51)30-21-16-17-24-49(30)12-3/h10,28-33H,1,11-27H2,2-9H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110285
PNG
(US8613914, 53 | US9206232, 53)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N(C)C1CC1)C(C)(C)[C@]21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C45H73N7O7S/c1-10-30-25-45(30,40(57)49-60(58,59)50(9)31-20-21-31)48-37(54)33-26-44(42(7,8)43(44)22-16-23-43)27-52(33)39(56)35(41(4,5)6)47-38(55)34(29-17-12-11-13-18-29)46-36(53)32-19-14-15-24-51(32)28(2)3/h10,28-35H,1,11-27H2,2-9H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t30-,32+,33+,34+,35-,44-,45-/m1/s1
PDB
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n/an/a 1.70n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110379
PNG
(US8613914, 153 | US9206232, 153)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1CC)C1(C)CCCCC1)C1(C)CCOCC1)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C46H75N7O8S/c1-9-31-28-46(31,40(58)50-62(59,60)52(11-3)12-4)49-37(55)33-29-45(41(5,6)44(45)21-17-22-44)30-53(33)39(57)35(43(8)23-26-61-27-24-43)48-38(56)34(42(7)19-14-13-15-20-42)47-36(54)32-18-16-25-51(32)10-2/h9,31-35H,1,10-30H2,2-8H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t31-,32+,33+,34-,35-,45-,46-/m1/s1
PDB
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n/an/a 1.80n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110247
PNG
(US8613914, 15 | US9206232, 15)
Show SMILES CC(C)N1CCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C44H71N7O7S/c1-9-30-25-44(30,39(56)48-59(57,58)49-22-13-14-23-49)47-36(53)32-26-43(41(7,8)42(43)20-16-21-42)27-51(32)38(55)34(40(4,5)6)46-37(54)33(29-17-11-10-12-18-29)45-35(52)31-19-15-24-50(31)28(2)3/h9,28-34H,1,10-27H2,2-8H3,(H,45,52)(H,46,54)(H,47,53)(H,48,56)/t30-,31+,32+,33+,34-,43-,44-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM196122
PNG
(US9206232, 80)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C1CCCC1)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C46H75N7O7S/c1-8-33-27-46(33,42(58)50-61(59,60)51(9-2)10-3)49-39(55)35-28-45(43(6,7)44(45)24-18-25-44)29-53(35)41(57)37(32-21-14-15-22-32)48-40(56)36(31-19-12-11-13-20-31)47-38(54)34-23-16-17-26-52(34)30(4)5/h8,30-37H,1,9-29H2,2-7H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t33-,34+,35+,36?,37+,45-,46-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110315
PNG
(US8613914, 83 | US9206232, 83)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N(C)CC(F)F)C(C)(C)[C@]21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C44H71F2N7O7S/c1-10-29-23-44(29,39(58)50-61(59,60)51(9)25-32(45)46)49-36(55)31-24-43(41(7,8)42(43)20-16-21-42)26-53(31)38(57)34(40(4,5)6)48-37(56)33(28-17-12-11-13-18-28)47-35(54)30-19-14-15-22-52(30)27(2)3/h10,27-34H,1,11-26H2,2-9H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t29-,30+,31+,33+,34-,43-,44-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110296
PNG
(US8613914, 64 | US9206232, 64)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C47H77N7O7S/c1-9-32-28-47(32,42(59)51-62(60,61)52(10-2)11-3)50-39(56)35-29-46(44(7,8)45(46)25-19-26-45)30-54(35)41(58)37(43(4,5)6)49-40(57)36(31-20-13-12-14-21-31)48-38(55)34-24-17-18-27-53(34)33-22-15-16-23-33/h9,31-37H,1,10-30H2,2-8H3,(H,48,55)(H,49,57)(H,50,56)(H,51,59)/t32-,34+,35+,36+,37-,46-,47-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110377
PNG
(US8613914, 151 | US9206232, 151)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1CC)C1CCCCC1)C1(C)CCOCC1)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C46H75N7O8S/c1-8-32-28-46(32,41(58)50-62(59,60)52(10-3)11-4)49-38(55)34-29-45(42(5,6)44(45)21-17-22-44)30-53(34)40(57)36(43(7)23-26-61-27-24-43)48-39(56)35(31-18-13-12-14-19-31)47-37(54)33-20-15-16-25-51(33)9-2/h8,31-36H,1,9-30H2,2-7H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t32-,33+,34+,35+,36-,45-,46-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110325
PNG
(US8613914, 93 | US9206232, 93)
Show SMILES CCN(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C42H69N7O7S/c1-10-28-24-42(28,37(54)46-57(55,56)48(9)11-2)45-34(51)30-25-41(39(6,7)40(41)21-17-22-40)26-49(30)36(53)32(38(3,4)5)44-35(52)31(27-18-13-12-14-19-27)43-33(50)29-20-15-16-23-47(29)8/h10,27-32H,1,11-26H2,2-9H3,(H,43,50)(H,44,52)(H,45,51)(H,46,54)/t28-,29+,30+,31+,32-,41-,42-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110260
PNG
(US8613914, 28 | US9206232, 28)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C1CCCCC1)C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C46H73N7O7S/c1-7-31-27-46(31,41(58)50-61(59,60)51-24-13-14-25-51)49-38(55)34-28-45(43(5,6)44(45)22-16-23-44)29-53(34)40(57)36(42(2,3)4)48-39(56)35(30-17-9-8-10-18-30)47-37(54)33-21-15-26-52(33)32-19-11-12-20-32/h7,30-36H,1,8-29H2,2-6H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t31-,33+,34+,35+,36-,45-,46-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110278
PNG
(US8613914, 46 | US9206232, 46)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CC[C@H](F)C1)C(C)(C)[C@]21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C45H72FN7O7S/c1-9-30-24-45(30,40(58)50-61(59,60)51-23-19-31(46)26-51)49-37(55)33-25-44(42(7,8)43(44)20-15-21-43)27-53(33)39(57)35(41(4,5)6)48-38(56)34(29-16-11-10-12-17-29)47-36(54)32-18-13-14-22-52(32)28(2)3/h9,28-35H,1,10-27H2,2-8H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t30-,31+,32+,33+,34+,35-,44-,45-/m1/s1
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Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110248
PNG
(US8613914, 16 | US9206232, 16)
Show SMILES CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C44H71N7O7S/c1-9-30-25-44(30,39(56)48-59(57,58)49-22-13-14-23-49)47-36(53)32-26-43(41(7,8)42(43)20-16-21-42)27-51(32)38(55)34(40(4,5)6)46-37(54)33(29-17-11-10-12-18-29)45-35(52)31-19-15-24-50(31)28(2)3/h9,28-34H,1,10-27H2,2-8H3,(H,45,52)(H,46,54)(H,47,53)(H,48,56)/t30-,31-,32+,33+,34-,43-,44-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110376
PNG
(US8613914, 150 | US9206232, 150)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C1(C)CCOCC1)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C47H77N7O8S/c1-9-33-28-47(33,42(59)51-63(60,61)52(10-2)11-3)50-39(56)35-29-46(43(6,7)45(46)21-17-22-45)30-54(35)41(58)37(44(8)23-26-62-27-24-44)49-40(57)36(32-18-13-12-14-19-32)48-38(55)34-20-15-16-25-53(34)31(4)5/h9,31-37H,1,10-30H2,2-8H3,(H,48,55)(H,49,57)(H,50,56)(H,51,59)/t33-,34+,35+,36+,37-,46-,47-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110271
PNG
(US8613914, 39 | US9206232, 39)
Show SMILES CCN1CCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C43H69N7O7S/c1-8-29-25-43(29,38(55)47-58(56,57)49-23-13-14-24-49)46-35(52)31-26-42(40(6,7)41(42)20-16-21-41)27-50(31)37(54)33(39(3,4)5)45-36(53)32(28-17-11-10-12-18-28)44-34(51)30-19-15-22-48(30)9-2/h8,28-33H,1,9-27H2,2-7H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1
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Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110314
PNG
(US8613914, 82 | US9206232, 82)
Show SMILES CN1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C43H69N7O7S/c1-8-29-25-43(29,38(55)47-58(56,57)49-23-14-15-24-49)46-35(52)31-26-42(40(5,6)41(42)20-16-21-41)27-50(31)37(54)33(39(2,3)4)45-36(53)32(28-17-10-9-11-18-28)44-34(51)30-19-12-13-22-48(30)7/h8,28-33H,1,9-27H2,2-7H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1
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Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110284
PNG
(US8613914, 52 | US9206232, 52)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N(C)c1ccccc1)C(C)(C)[C@]21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C48H73N7O7S/c1-10-33-28-48(33,43(60)52-63(61,62)53(9)34-22-15-12-16-23-34)51-40(57)36-29-47(45(7,8)46(47)25-19-26-46)30-55(36)42(59)38(44(4,5)6)50-41(58)37(32-20-13-11-14-21-32)49-39(56)35-24-17-18-27-54(35)31(2)3/h10,12,15-16,22-23,31-33,35-38H,1,11,13-14,17-21,24-30H2,2-9H3,(H,49,56)(H,50,58)(H,51,57)(H,52,60)/t33-,35+,36+,37+,38-,47-,48-/m1/s1
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Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110333
PNG
(US8613914, 101 | US9206232, 101)
Show SMILES CCN(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1CC)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C42H69N7O7S/c1-10-28-24-42(28,37(54)46-57(55,56)47(9)11-2)45-34(51)30-25-41(39(7,8)40(41)21-17-22-40)26-49(30)36(53)32(38(4,5)6)44-35(52)31(27-18-14-13-15-19-27)43-33(50)29-20-16-23-48(29)12-3/h10,27-32H,1,11-26H2,2-9H3,(H,43,50)(H,44,52)(H,45,51)(H,46,54)/t28-,29+,30+,31+,32-,41-,42-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110286
PNG
(US8613914, 54 | US9206232, 54)
Show SMILES COCCN(C1CC1)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)[C@]21CCC1 |r|
Show InChI InChI=1S/C47H77N7O8S/c1-10-32-27-47(32,42(59)51-63(60,61)54(25-26-62-9)33-20-21-33)50-39(56)35-28-46(44(7,8)45(46)22-16-23-45)29-53(35)41(58)37(43(4,5)6)49-40(57)36(31-17-12-11-13-18-31)48-38(55)34-19-14-15-24-52(34)30(2)3/h10,30-37H,1,11-29H2,2-9H3,(H,48,55)(H,49,57)(H,50,56)(H,51,59)/t32-,34+,35+,36+,37-,46-,47-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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n/an/a 2.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM196128
PNG
(US9206232, 140)
Show SMILES CC(C)N1CCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C44H72N8O9S2/c1-9-30-25-44(30,39(57)48-62(58,59)49-63(60,61)50-22-13-14-23-50)47-36(54)32-26-43(41(7,8)42(43)20-16-21-42)27-52(32)38(56)34(40(4,5)6)46-37(55)33(29-17-11-10-12-18-29)45-35(53)31-19-15-24-51(31)28(2)3/h9,28-34,49H,1,10-27H2,2-8H3,(H,45,53)(H,46,55)(H,47,54)(H,48,57)/t30-,31+,32+,33+,34-,43-,44-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC sid
UniChem
US Patent
n/an/a 2.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110341
PNG
(US8613914, 109 | US9206232, 109)
Show SMILES CCN1CCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N(C)C(C)C)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C43H71N7O7S/c1-11-29-24-43(29,38(55)47-58(56,57)48(10)27(3)4)46-35(52)31-25-42(40(8,9)41(42)21-17-22-41)26-50(31)37(54)33(39(5,6)7)45-36(53)32(28-18-14-13-15-19-28)44-34(51)30-20-16-23-49(30)12-2/h11,27-33H,1,12-26H2,2-10H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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n/an/a 2.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110249
PNG
(US8613914, 17 | US9206232, 17)
Show SMILES CC(C)N1CC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C43H69N7O7S/c1-9-29-24-43(29,38(55)47-58(56,57)48-21-13-14-22-48)46-35(52)31-25-42(40(7,8)41(42)19-15-20-41)26-50(31)37(54)33(39(4,5)6)45-36(53)32(28-16-11-10-12-17-28)44-34(51)30-18-23-49(30)27(2)3/h9,27-33H,1,10-26H2,2-8H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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n/an/a 2.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM196121
PNG
(US9206232, 79)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C44H73N7O7S/c1-11-30-25-44(30,39(56)48-59(57,58)49(12-2)13-3)47-36(53)32-26-43(41(9,10)42(43)22-18-23-42)27-51(32)38(55)34(40(6,7)8)46-37(54)33(29-19-14-15-20-29)45-35(52)31-21-16-17-24-50(31)28(4)5/h11,28-34H,1,12-27H2,2-10H3,(H,45,52)(H,46,54)(H,47,53)(H,48,56)/t30-,31+,32+,33?,34-,43-,44-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC sid
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US Patent
n/an/a 2.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110398
PNG
(US8613914, 172 | US9206232, 172)
Show SMILES CC(C)N1CCCC[C@H]1C(=O)NC(C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)NC1CC1)C(C)(C)C21CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C44H71N7O7S/c1-9-29-24-44(29,39(56)49-59(57,58)48-30-19-20-30)47-36(53)32-25-43(41(7,8)42(43)21-15-22-42)26-51(32)38(55)34(40(4,5)6)46-37(54)33(28-16-11-10-12-17-28)45-35(52)31-18-13-14-23-50(31)27(2)3/h9,27-34,48H,1,10-26H2,2-8H3,(H,45,52)(H,46,54)(H,47,53)(H,49,56)/t29-,31+,32+,33?,34-,43-,44-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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n/an/a 2.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110380
PNG
(US8613914, 154 | US9206232, 154)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1CC)C1CCCCC1)C1(C)CCOCC1)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C45H73N7O8S/c1-8-31-27-45(31,40(57)49-61(58,59)51(10-3)11-4)48-37(54)33-28-44(41(5,6)43(44)20-16-21-43)29-52(33)39(56)35(42(7)22-25-60-26-23-42)47-38(55)34(30-17-13-12-14-18-30)46-36(53)32-19-15-24-50(32)9-2/h8,30-35H,1,9-29H2,2-7H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t31-,32+,33+,34+,35-,44-,45-/m1/s1
PDB
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UniProtKB/SwissProt

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n/an/a 2.80n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM110364
PNG
(US8613914, 132 | US9206232, 132)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C44H73N7O7S/c1-10-31-25-44(31,40(56)48-59(57,58)49(11-2)12-3)47-37(53)33-26-43(41(8,9)42(43)22-18-23-42)27-51(33)39(55)34(28(4)5)45-38(54)35(30-19-14-13-15-20-30)46-36(52)32-21-16-17-24-50(32)29(6)7/h10,28-35H,1,11-27H2,2-9H3,(H,45,54)(H,46,52)(H,47,53)(H,48,56)/t31-,32+,33+,34+,35+,43-,44-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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n/an/a 2.80n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...

US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%